ピロりん酸水素トリス(テトラブチルアンモニウム)

Tris(tetrabutylammonium) hydrogen pyrophosphate

HCID 11115639

基本情報

CAS
76947-02-9
標準SMILES
CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])O
InChIKey
BMTUFQKYWWLCLC-UHFFFAOYSA-K
分子式
C48H109N3O7P2
平均分子量
902.3 g/mol

名称と識別子

優先名称
Tris(tetrabutylammonium) hydrogen pyrophosphate
IUPAC
[hydroxy(oxido)phosphoryl] phosphate;tris(tetrabutylazanium)
現地名
ピロりん酸水素トリス(テトラブチルアンモニウム)
英語名
Tris(tetrabutylammonium) hydrogen pyrophosphate
分子式
C16H37NO7P2(-2)
分子量
417.42

名称と別名

76947-02-9Tris(tetrabutylammonium) hydrogen pyrophosphateRefChem:900380629-331-4MFCD00210109Pyrophosphoric acid tris(tetrabutylammonium) saltPYROPHOSPHORICACIDTRIS(TETRABUTYLAMMONIUM)SALTtris(tetra-n-butylammonium) hydrogen pyrophosphatetetrabutylammonium hydrogendiphosphate[hydroxy(oxido)phosphoryl] phosphate;tetrabutylazaniumAKOS037646249AS-67606
名称をさらに表示
ピロりん酸水素トリス(テトラブチルアンモニウム)tris(tetrabutylazanium)Tris(tetra-N-butylammonium)diphosphateTris(tetrabutylammonium) pyrophosphateTri (tetrabutylammonium) hydrogen pyrophosphateTris(tetra-n-butylamonium) hydrogen pyrophosphatetris(tetrabutylazanium)?hydrogen?(phosphonooxy)phosphonate
tris(tetrabutylazanium) hydrogen (phosphonatooxy)phosphonateTetrabutylammonium pyrophosphate (3:1)TBA pyrophosphateTris(tetrabutylammonium) Pyrophosphate; Tris(N,N,N-tributyl-1-butanaminium) DiphosphateA932311SCHEMBL288042C48H109N3O7P2tetrabutylammonium hydrogen diphosphate

データベース識別子

CAS
76947-02-9
PubChem CID
11115639
EC Number
629-331-4

物性

構造計算による物性

極性表面積
133 Ų
水素結合供与体数
1
水素結合受容体数
7
回転可能結合数
37
重原子数
60

物理化学的性質

融点
145 · 145 - 148°C
貯蔵温度
2 · 2-8°C
溶解性
メタノール(微量)、水(微量)
外見
個体
色
白色~淡黄色
BRN
4632762 · 4632762

化学的性質

化学的特性White Crystalline Powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F
3-10
wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

化学と産業

応用分野 · 3 件

説明Tris(tetrabutylammonium) hydrogen pyrophosphate is a reagent used for pyrophosphorylation, reactions involving isoprenoid derivatives, and the pyrophosphorylation and triphosphorylation of nucleosides.Tris(tetrabutylammonium) hydrogen pyrophosphate. A new reagent for the preparation of allylic pyrophosphate esters

使用Phosphorylating reagent.

一般的な説明Tris(tetrabutylammonium) hydrogen pyrophosphate is a triphosphate that is used as a nucleophile in organic synthesis. It reacts with isopropyl alcohol to form the corresponding cyclic adducts, which can be isolated as the corresponding acetonitrile salts. Tris(tetrabutylammonium) hydrogen pyrophosphate is also used as an intermediate for the synthesis of other molecules, such as geranyl, and provides a predictable means of synthesizing isotopomers of these molecules. This molecule may be prepared by reacting ammonium bicarbonate with chloride and then adding isopropyl alcohol to the mixture.

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